5-(4-chlorophenyl)-1,3-oxazole

C9H6ClNO — CID 12871523

IUPAC5-(4-chlorophenyl)-1,3-oxazole
SMILESClc1ccc(-c2cnco2)cc1
InChIInChI=1S/C9H6ClNO/c10-8-3-1-7(2-4-8)9-5-11-6-12-9/h1-6H
InChIKeyPJKPHOIIYXTDIA-UHFFFAOYSA-N
MW179.61 g/mol
LogP2.99
Rot. Bonds1

About 5-(4-chlorophenyl)-1,3-oxazole

5-(4-chlorophenyl)-1,3-oxazole (PubChem CID 12871523) has the molecular formula C9H6ClNO and a molecular weight of 179.61 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1,3-oxazole
PubChem CID12871523
Molecular FormulaC9H6ClNO
Molecular Weight179.61 g/mol
Exact Mass179.01
IUPAC Name5-(4-chlorophenyl)-1,3-oxazole
SMILESClc1ccc(-c2cnco2)cc1
InChIInChI=1S/C9H6ClNO/c10-8-3-1-7(2-4-8)9-5-11-6-12-9/h1-6H
InChIKeyPJKPHOIIYXTDIA-UHFFFAOYSA-N
XLogP2.99
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.61
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-Bromophenyl)-1,3-oxazole
CID 2776418
5-Phenyl oxazole
CID 589311
2-(2-Chlorophenyl)-5-phenyl-1,3-oxazole
CID 259756
2-(4-Chlorophenyl)-5-phenyl-1,3-oxazole
CID 259758
2-Cyclohexyl-5-phenyloxazole
CID 87832
5-(4-Methylphenyl)-1,3-oxazole
CID 2739179
5-(3-Bromophenyl)-1,3-oxazole
CID 2795565
2-(Chloromethyl)-5-(4-chlorophenyl)-1,3-oxazole
CID 736966
4-(5-Oxazolyl)benzylamine
CID 21930993
5-(2-Bromophenyl)-1,3-oxazole
CID 3780551
2-Methyl-5-Phenyl-1,3-Oxazole
CID 248491
4-[5-(4-Chlorophenyl)-1,3-Oxazol-2-Yl]benzamide
CID 13626914

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1,3-oxazole?
The IUPAC name of 5-(4-chlorophenyl)-1,3-oxazole (CID 12871523) is 5-(4-chlorophenyl)-1,3-oxazole.
What is the SMILES notation for 5-(4-chlorophenyl)-1,3-oxazole?
The canonical SMILES for 5-(4-chlorophenyl)-1,3-oxazole is Clc1ccc(-c2cnco2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-1,3-oxazole?
The InChIKey is PJKPHOIIYXTDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNO/c10-8-3-1-7(2-4-8)9-5-11-6-12-9/h1-6H.
What are the key properties of 5-(4-chlorophenyl)-1,3-oxazole?
5-(4-chlorophenyl)-1,3-oxazole has a molecular weight of 179.61 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1,3-oxazole is sourced from PubChem (CID 12871523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).